CID 56828011

1-(ethanesulfonyl)-2-fluorobenzene

Structural Information

Molecular Formula
C8H9FO2S
SMILES
CCS(=O)(=O)C1=CC=CC=C1F
InChI
InChI=1S/C8H9FO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKey
SEKKLXBUQRMFFB-UHFFFAOYSA-N
Compound name
1-ethylsulfonyl-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

188.03073 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.038006 133.8
[M+Na]+ 211.019948 143.6
[M-H]- 187.023454 136.9
[M+NH4]+ 206.064553 154.3
[M+K]+ 226.993888 140.7
[M+H-H2O]+ 171.027990 127.8
[M+HCOO]- 233.028931 151.7
[M+CH3COO]- 247.044581 178.7
[M+Na-2H]- 209.005396 138.6
[M]+ 188.03018142 135.8
[M]- 188.03127858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe